9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane

C12H23NO2 — CID 67989491

IUPAC9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(OC)CO2)CC1
InChIInChI=1S/C12H23NO2/c1-3-13-8-6-12(7-9-13)5-4-11(14-2)10-15-12/h11H,3-10H2,1-2H3
InChIKeyAOFMUKRHLBABDL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.67
Rot. Bonds2

About 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane

9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 67989491) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID67989491
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(OC)CO2)CC1
InChIInChI=1S/C12H23NO2/c1-3-13-8-6-12(7-9-13)5-4-11(14-2)10-15-12/h11H,3-10H2,1-2H3
InChIKeyAOFMUKRHLBABDL-UHFFFAOYSA-N
XLogP1.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane (CID 67989491) is 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane is CCN1CCC2(CCC(OC)CO2)CC1.
What is the InChIKey of 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is AOFMUKRHLBABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-8-6-12(7-9-13)5-4-11(14-2)10-15-12/h11H,3-10H2,1-2H3.
What are the key properties of 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 213.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 67989491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).